Molecule

ID:112190

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₆N₂
Molecular Mass
306.44454
Exact Mass
306.20959884
Charge
0
InChI
InChI=1S/C21H26N2/c1-5-16-11-9-12-17(6-2)20(16)22-15-23-21-18(7-3)13-10-14-19(21)8-4/h9-14H,5-8H2,1-4H3
InChIKey
HKZPXAWSERLSRM-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1N=C=Nc1c(CC)cccc1CC)CC
Isomeric Smiles
CCc1cccc(CC)c1N=C=Nc1c(CC)cccc1CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.87652
LogD (pH = 7.4)
7.87652
Log P
7.87652
Molar Refractivity
102.4444
Polarizability
37.34927
Polar Surface Area
24.72
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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